Leupeptazin (CHEBI:220000)

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CHEBI:220000 - Leupeptazin

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ChEBI ID	CHEBI:220000
ChEBI Name	Leupeptazin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H38N8O3
Net Charge	0
Average Mass	450.588
Monoisotopic Mass	450.30669
SMILES	CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCCN2C(N)=NC(N)=N[C@@H]12
InChI	InChI=1S/C21H38N8O3/c1-11(2)9-15(24-13(5)30)18(31)26-16(10-12(3)4)19(32)25-14-7-6-8-29-17(14)27-20(22)28-21(29)23/h11-12,14-17H,6-10H2,1-5H3,(H,24,30)(H,25,32)(H,26,31)(H4,22,23,27,28)/t14-,15-,16-,17+/m0/s1
InChIKey	HARWFBRXTCPOLU-LUKYLMHMSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (28228366)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Leupeptazin (CHEBI:220000) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-acetamido-N-[(2S)-1-[[(9S,9aR)-2,4-diamino-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a][1,3,5]triazin-9-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

Manual Xrefs	Databases
62702358	ChemSpider